CID 132342108

5-chloro-4-sulfamoylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C5H4ClNO5S
SMILES
C1=C(OC(=C1S(=O)(=O)N)Cl)C(=O)O
InChI
InChI=1S/C5H4ClNO5S/c6-4-3(13(7,10)11)1-2(12-4)5(8)9/h1H,(H,8,9)(H2,7,10,11)
InChIKey
ADQRZGYAKRFQCA-UHFFFAOYSA-N
Compound name
5-chloro-4-sulfamoylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.94987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.95715 143.6
[M+Na]+ 247.93909 152.2
[M+NH4]+ 242.98369 149.2
[M+K]+ 263.91303 150.4
[M-H]- 223.94259 142.9
[M+Na-2H]- 245.92454 145.0
[M]+ 224.94932 144.9
[M]- 224.95042 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.